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PUBCHEM-ZINC00030355

 MMsINC code: MMs02627436
Type: Neutral
Formula: C11H16ClNO2S
SMILES:   Clc1ccc(S(=O)(=O)NC(CCC)C)cc1
InChI:   InChI=1/C11H16ClNO2S/c1-3-4-9(2)13-16(14,15)11-7-5-10(12)6-8-11/h5-9,13H,3-4H2,1-2H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=4.76002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.773 g/mol  logS: -3.32856  SlogP: 2.8069  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108114  Sterimol/B1: 3.62659  Sterimol/B2: 3.64928  Sterimol/B3: 3.95574
  Sterimol/B4: 4.73702  Sterimol/L: 14.8826 
 
 Surface and Volume Properties
  Accessible surface: 465.749  Positive charged surface: 240.557  Negative charged surface: 225.192  Volume: 237.125
  Hydrophobic surface: 351.312  Hydrophilic surface: 114.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.